(E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide

C18H20N2O6S — CID 87693204

IUPAC(E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/CC(=O)NO)cc2)cc1OC
InChIInChI=1S/C18H20N2O6S/c1-25-16-11-8-14(12-17(16)26-2)20-27(23,24)15-9-6-13(7-10-15)4-3-5-18(21)19-22/h3-4,6-12,20,22H,5H2,1-2H3,(H,19,21)/b4-3+
InChIKeyKPDAPNJTHGUXHT-ONEGZZNKSA-N
MW392.43 g/mol
LogP2.41
Rot. Bonds8

About (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide

(E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide (PubChem CID 87693204) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide.

Molecular Properties

Compound Name(E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide
PubChem CID87693204
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name(E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/CC(=O)NO)cc2)cc1OC
InChIInChI=1S/C18H20N2O6S/c1-25-16-11-8-14(12-17(16)26-2)20-27(23,24)15-9-6-13(7-10-15)4-3-5-18(21)19-22/h3-4,6-12,20,22H,5H2,1-2H3,(H,19,21)/b4-3+
InChIKeyKPDAPNJTHGUXHT-ONEGZZNKSA-N
XLogP2.41
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
3-(3,4-dimethoxyphenyl)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 4659269
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
3-(3,4-dimethoxyphenyl)-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 4659267
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 20900799
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide?
The IUPAC name of (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide (CID 87693204) is (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide.
What is the SMILES notation for (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide?
The canonical SMILES for (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide is COc1ccc(NS(=O)(=O)c2ccc(/C=C/CC(=O)NO)cc2)cc1OC.
What is the InChIKey of (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide?
The InChIKey is KPDAPNJTHGUXHT-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-25-16-11-8-14(12-17(16)26-2)20-27(23,24)15-9-6-13(7-10-15)4-3-5-18(21)19-22/h3-4,6-12,20,22H,5H2,1-2H3,(H,19,21)/b4-3+.
What are the key properties of (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide?
(E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide has a molecular weight of 392.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxybut-3-enamide is sourced from PubChem (CID 87693204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).